SCHEMBL10003758

SCHEMBL10003758

CCc1cc2c(c(OC(C)C)c(C(=O)Nc3cccnc3)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ LRRK2 Q5S007 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RIPK2 O43353 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10299362 0.90 SRC (0.41) BRPF1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL10003727 0.81 HKDC1 (0.37) SMN1; SMN2CYP1A2TDP1ALDH1A1HPGD
SCHEMBL10299324 0.81 SMO (0.35) SMN1; SMN2MET
SCHEMBL10299357 0.81 HKDC1 (0.36) BRPF1SMN1; SMN2CYP1A2POLBALDH1A1
SCHEMBL10299336 0.80 LMNA (0.35) SMN1; SMN2CYP1A2POLBALDH1A1KMT2A
SCHEMBL12825647 0.80 KMT2A (0.34) NAMPTBRPF1SMN1; SMN2POLBALDH1A1
SCHEMBL12020094 0.80 SMO (0.36) NAMPTSMN1; SMN2CYP1A2ALDH1A1MET
SCHEMBL12019584 0.80 CNR2 (0.39) SMN1; SMN2NPC1RAB9AMET
SCHEMBL10004293 0.79 GABRA2 (0.39) SMN1; SMN2POLBALDH1A1MEN1NPC1
SCHEMBL10299347 0.78 NAMPT (0.39) NAMPTBRPF1CYP1A2POLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
WO-2011024872-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH NAMPT 970/4885CYP11B1 277/4885CYP11B2 259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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